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5818 Commits

Author SHA1 Message Date
Steve Plimpton 51efee43be sync to master 2020-01-13 13:42:05 -07:00
Axel Kohlmeyer 6813ab4c9c
Merge pull request #1832 from akohlmey/doc-styles-check 
Check style command lists against existing styles in sources
 2020-01-13 10:38:26 -05:00
Axel Kohlmeyer eed85bb676
Merge pull request #1834 from akohlmey/suffix-flag-refactor 
Small Suffix flag refactoring and disallow per substyle special overrides for USER-INTEL and GPU
 2020-01-13 10:37:35 -05:00
Axel Kohlmeyer bfaea66e66
update documentation 2020-01-12 23:03:45 -05:00
Axel Kohlmeyer 64e72b1cd5
indent consistently with tabs only 2020-01-12 12:34:54 -05:00
Axel Kohlmeyer 4a5511d00a
Merge branch 'collected-small-changes' into doc-styles-check 2020-01-12 10:19:22 -05:00
Axel Kohlmeyer 81c9b0b12e
small update to kspace overview 2020-01-12 10:17:56 -05:00
Axel Kohlmeyer 7b9abda6c4
refactor to use a function to process files with lists of styles 2020-01-12 10:17:14 -05:00
Axel Kohlmeyer c93ee1045c
Merge branch 'collected-small-changes' into doc-styles-check 2020-01-12 10:13:34 -05:00
Axel Kohlmeyer a0ecf539f6
clean up and correct some documentation link issues 2020-01-12 10:08:14 -05:00
Axel Kohlmeyer 675bd26085
Merge branch 'master' into doc-styles-check 2020-01-11 21:00:49 -05:00
Axel Kohlmeyer 587fc9d962
Merge pull request #1828 from lammps/post-patch-tweaks 
minor omissions in recent patch release
 2020-01-11 21:00:09 -05:00
Axel Kohlmeyer 3b32141330
update documentation for style check 2020-01-11 20:47:10 -05:00
Axel Kohlmeyer d7242eaa6a
print total styles and count/report the number of issues 2020-01-11 20:41:14 -05:00
Axel Kohlmeyer 26830d09f8
hook style check into makefile 2020-01-11 20:39:58 -05:00
Axel Kohlmeyer 1d7b554e9a
Merge branch 'post-patch-tweaks' into doc-styles-check 2020-01-11 20:08:03 -05:00
Axel Kohlmeyer b2c4385661
clean up and correct fix style command overview 2020-01-11 20:02:23 -05:00
Axel Kohlmeyer b4a87d79a0
make anchors and file names for lj/switch3/coulgauss/long consistent 2020-01-11 20:02:04 -05:00
Axel Kohlmeyer bc9436a04f
add support for computes and fixes 2020-01-11 19:58:31 -05:00
Axel Kohlmeyer 4a58d356b0
Merge branch 'post-patch-tweaks' into doc-styles-check 2020-01-11 19:43:42 -05:00
Axel Kohlmeyer 05b68d9e0d
add missing pair style entries 2020-01-11 19:43:29 -05:00
Axel Kohlmeyer 019c70140f
add and correct kspace style entries 2020-01-11 19:43:18 -05:00
Axel Kohlmeyer 7ea366b3ce
fix formatting issue 2020-01-11 19:42:40 -05:00
Axel Kohlmeyer 1d838dad19
add checking of kspace styles 2020-01-11 19:41:59 -05:00
Axel Kohlmeyer 555f9b3450
Merge branch 'post-patch-tweaks' into doc-styles-check 2020-01-11 19:16:44 -05:00
Axel Kohlmeyer ff7110028b
make doc of pair style mm3/switch3/coulgauss/long consistent and complete 2020-01-11 19:16:34 -05:00
Axel Kohlmeyer 66296616ae
handle removed styles on bonded command table 2020-01-11 19:10:21 -05:00
Axel Kohlmeyer 8f9c3a3a9c
Merge branch 'post-patch-tweaks' into doc-styles-check 2020-01-11 19:04:38 -05:00
Axel Kohlmeyer 84a975439a
clean up pair style command overview some 2020-01-11 19:04:02 -05:00
Axel Kohlmeyer f713e9acc3
add missing bond style 2020-01-11 19:03:20 -05:00
Axel Kohlmeyer 297d31ab8f
clean up and update general command overview 2020-01-11 19:02:49 -05:00
Axel Kohlmeyer a38cf075db
add checks for global commands, pair and bonded styles 2020-01-11 18:53:09 -05:00
Axel Kohlmeyer 7ebddb6088
Merge pull request #1829 from lammps/rerun-example 
added rerun example dir
 2020-01-11 18:49:40 -05:00
Axel Kohlmeyer 00a31f6637
Merge branch 'master' into doc-styles-check 2020-01-11 17:05:16 -05:00
Axel Kohlmeyer d7d1d57170
remove outdated txt files 2020-01-11 16:35:27 -05:00
Axel Kohlmeyer e1849232b8
remove redundant lj/cut/tip4p/long/gpu entry and correct underline length 2020-01-11 16:21:42 -05:00
Axel Kohlmeyer 9c207bb751
remove outdated .txt file for pair style meam/c 2020-01-11 16:20:13 -05:00
Axel Kohlmeyer 4f35682828
list added example folder in manual 2020-01-11 16:15:49 -05:00
Axel Kohlmeyer cb8313d947
document added warning for fix bond/create 2020-01-11 16:08:37 -05:00
Steve Plimpton d1222bd3c0 minor omissions in recent patch release 2020-01-09 17:38:50 -07:00
Axel Kohlmeyer a3fd7345a7
Merge branch 'master' into next_patch_version 2020-01-08 17:20:36 -05:00
Axel Kohlmeyer 6e2c3b7ce9
Merge branch 'master' into collected-small-fixes 2020-01-08 16:14:19 -05:00
Axel Kohlmeyer 481c647889
Merge pull request #1776 from Vsevak/tip4p_gpu 
GPU support for lj/cut/tip4p/long pair style
 2020-01-08 15:35:39 -05:00
Axel Kohlmeyer 7051c941e5
Merge branch 'master' into collected-small-fixes 2020-01-08 15:05:03 -05:00
Axel Kohlmeyer e243ca92b0
step version string for next patch release 2020-01-08 14:31:08 -05:00
Axel Kohlmeyer 8ac2da792c
fix typo in fix ave/atom docs 2020-01-06 16:18:23 -05:00
Axel Kohlmeyer 0dda120ef8
Merge pull request #1800 from jibril-b-coulibaly/patch-1 
Correct typo in pair_granular.rst
 2020-01-06 15:35:36 -05:00
Axel Kohlmeyer 1be8109618
Merge pull request #1798 from martok/meamc-dec19 
Collected MEAM/C additions
 2020-01-06 15:07:08 -05:00
Axel Kohlmeyer 402f5585ff
Merge pull request #1795 from jrgissing/bond/react-chiral_centers 
Bond/react chiral centers
 2019-12-19 16:13:32 -05:00
Sebastian Hütter 1be9364a89 MEAM/C: document new reference structures 2019-12-17 21:55:38 +01:00